2-carbamothioyl-3-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide

C14H28N2OS — CID 102906212

IUPAC2-carbamothioyl-3-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide
SMILESCC(C)C(C(=O)NCC(C(C)C)C(C)C)C(N)=S
InChIInChI=1S/C14H28N2OS/c1-8(2)11(9(3)4)7-16-14(17)12(10(5)6)13(15)18/h8-12H,7H2,1-6H3,(H2,15,18)(H,16,17)
InChIKeyTWNFQMBSPYZKIJ-UHFFFAOYSA-N
MW272.46 g/mol
LogP2.59
Rot. Bonds7

About 2-carbamothioyl-3-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide

2-carbamothioyl-3-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide (PubChem CID 102906212) has the molecular formula C14H28N2OS and a molecular weight of 272.46 g/mol. Its IUPAC name is 2-carbamothioyl-3-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide.

Molecular Properties

Compound Name2-carbamothioyl-3-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide
PubChem CID102906212
Molecular FormulaC14H28N2OS
Molecular Weight272.46 g/mol
Exact Mass272.19
IUPAC Name2-carbamothioyl-3-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide
SMILESCC(C)C(C(=O)NCC(C(C)C)C(C)C)C(N)=S
InChIInChI=1S/C14H28N2OS/c1-8(2)11(9(3)4)7-16-14(17)12(10(5)6)13(15)18/h8-12H,7H2,1-6H3,(H2,15,18)(H,16,17)
InChIKeyTWNFQMBSPYZKIJ-UHFFFAOYSA-N
XLogP2.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.46
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2-carbamothioyl-N-(2,2-difluoroethyl)-3-methylbutanamide
CID 115407171
(3-methyl-2-propan-2-ylbutyl)thiourea
CID 102904815
2-carbamothioyl-3-methyl-N-(7-methyloctyl)butanamide
CID 107815236
2-carbamothioyl-3-methyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]butanamide
CID 79362463
2-carbamothioyl-N-(2,2-dimethylbutyl)-3-methylbutanamide
CID 103461803
2-carbamothioyl-3-methyl-N-(5,5,5-trifluoropentyl)butanamide
CID 115519819
2-carbamothioyl-3-methyl-N-(2-methyl-2-methylsulfonylpropyl)butanamide
CID 79550769
2-carbamothioyl-3-methyl-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 114139141
(2R)-2-amino-N-(3-methyl-2-propan-2-ylbutyl)butanamide
CID 102905937
2-carbamothioyl-N-[2-[cyclopropyl(methyl)amino]ethyl]-3-methylbutanamide
CID 55139681
2-bromo-3-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide
CID 102904758
N-(1-amino-3-methyl-1-oxobutan-2-yl)-2-carbamothioyl-3-methylbutanamide
CID 106345624

Frequently Asked Questions

What is the IUPAC name of 2-carbamothioyl-3-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide?
The IUPAC name of 2-carbamothioyl-3-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide (CID 102906212) is 2-carbamothioyl-3-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide.
What is the SMILES notation for 2-carbamothioyl-3-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide?
The canonical SMILES for 2-carbamothioyl-3-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide is CC(C)C(C(=O)NCC(C(C)C)C(C)C)C(N)=S.
What is the InChIKey of 2-carbamothioyl-3-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide?
The InChIKey is TWNFQMBSPYZKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2OS/c1-8(2)11(9(3)4)7-16-14(17)12(10(5)6)13(15)18/h8-12H,7H2,1-6H3,(H2,15,18)(H,16,17).
What are the key properties of 2-carbamothioyl-3-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide?
2-carbamothioyl-3-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide has a molecular weight of 272.46 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbamothioyl-3-methyl-N-(3-methyl-2-propan-2-ylbutyl)butanamide is sourced from PubChem (CID 102906212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).